3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide

C15H20F3N3O — CID 75435664

IUPAC3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide
SMILESCC1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F
InChIInChI=1S/C15H20F3N3O/c1-11-8-20(5-6-21(11)10-15(16,17)18)9-12-3-2-4-13(7-12)14(19)22/h2-4,7,11H,5-6,8-10H2,1H3,(H2,19,22)
InChIKeyXMWNGNAITDUWCO-UHFFFAOYSA-N
MW315.34 g/mol
LogP1.85
Rot. Bonds4

About 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide

3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 75435664) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide
PubChem CID75435664
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide
SMILESCC1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F
InChIInChI=1S/C15H20F3N3O/c1-11-8-20(5-6-21(11)10-15(16,17)18)9-12-3-2-4-13(7-12)14(19)22/h2-4,7,11H,5-6,8-10H2,1H3,(H2,19,22)
InChIKeyXMWNGNAITDUWCO-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethyl-2-methylpiperazin-1-yl)methyl]benzoic acid
CID 122034179
3-[(3-aminopyrrolidin-1-yl)methyl]benzamide;hydrochloride
CID 119917602
3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]benzamide
CID 154743427
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935603
3-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)benzamide;hydrochloride
CID 119927575
3-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073033
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
4-[[(3S,5R)-3,5-dimethyl-4-[[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 118367172
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426422

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide (CID 75435664) is 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide is CC1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is XMWNGNAITDUWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-11-8-20(5-6-21(11)10-15(16,17)18)9-12-3-2-4-13(7-12)14(19)22/h2-4,7,11H,5-6,8-10H2,1H3,(H2,19,22).
What are the key properties of 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide?
3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 315.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 75435664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).